[No public or meaningful name is available]

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

11 - 12 July 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

yes

Remarks:

see principles of method if other than guideline

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Regulation (EC) No 440/2008

Deviations:

yes

Remarks:

see principles of method if other than guideline

Principles of method if other than guideline:

Due to very high water solubility of the test item, estimated in a preliminary test, a modified TG OECD 105 design was conducted. Instead of equilibrating a large amount of test item with water by stirring over several days and subsequently separating the test item from the saturated solution, water was added in a stepwise procedure to a defined amount of test item until complete dissolution occurred.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

3-(aminocarbonyl)-1-ß-D-ribofuranosyl-pyridinium bromide

Cas Number:

78687-39-5

Molecular formula:

C11H15BrN2O5

IUPAC Name:

3-(aminocarbonyl)-1-ß-D-ribofuranosyl-pyridinium bromide

impurity 1

Reference substance name:

Nicotinamide

EC Number:

202-713-4

EC Name:

Nicotinamide

Cas Number:

98-92-0

Molecular formula:

C6H6N2O

IUPAC Name:

nicotinamide

impurity 2

Reference substance name:

Methanol

EC Number:

200-659-6

EC Name:

Methanol

Cas Number:

67-56-1

Molecular formula:

CH4O

IUPAC Name:

methanol

impurity 3

Reference substance name:

Ethyl acetate

EC Number:

205-500-4

EC Name:

Ethyl acetate

Cas Number:

141-78-6

Molecular formula:

C4H8O2

IUPAC Name:

ethyl acetate

impurity 4

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Oxidane

impurity 5

Reference substance name:

inorganic salts by sulphated ash

IUPAC Name:

inorganic salts by sulphated ash

impurity 6

Reference substance name:

Bromic acid

EC Number:

232-158-3

EC Name:

Bromic acid

Cas Number:

7789-31-3

Molecular formula:

BrHO3

IUPAC Name:

bromic acid

impurity 7

Reference substance name:

Unknown impurities.

Molecular formula:

Not available as unknown impurities.

IUPAC Name:

Unknown impurities.

Test material form:

solid

Details on test material:

Batch / Lot No. 1000146/01

Specific details on test material used for the study:

Lot no.: 1000146/01
Storage Conditions: At approximately -15 °C

Results and discussion

Water solubility

Key result

Water solubility:

>= 993 g/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

22 °C

pH:

>= 2 - <= 3

Details on results:

Preliminary test:
0.1 g of the test item were dissolved in 0.1 ml of ultra-pure water, indicating a water solubility of >1000 g/l.


Main test:
The results are given in the table in the next section. The water solubility of Nicotinamide-beta-D-riboside bromide was determined according to a modified design based on the OECD 105 guideline. The water solubility was determined as the mean of the replicates analysed with HPLC. As this method does not ensure complete saturation of the solution, it is given as a minimum value in mass per volume of solution.
The test is satisfactory, if the concentrations of the three vessels do not differ by more than 15%.

Any other information on results incl. tables

HPLC determinations:

Test vessel	pH	Analysed concentration A (g/L)	Analysed concentration B (g/L)	Mean (g/L)
No. 1	2 -3	989	999	994
No. 2	2 -3	996	987	992
No. 3	2 -3	990	997	993
			Overall Mean	993

The concentrations of the three vessels differed by 0.2% (validity criterion given by OECD is met).

Applicant's summary and conclusion

Conclusions:

The water solubility of Nicotinamide-beta-D-riboside bromide (CAS no. 78687-39-5) was determined according to a modified design based on the OECD 105 guideline.
The water solubility of the test item at 22°C was >=993 g/L. The pH of the aqueous samples was 2-3.

Executive summary:

The water solubility of Nicotinamide-beta-D-riboside bromide (CAS no.78687-39-5) was determined according to a modified test design based on the OECD 105 guideline due to the high water solubility of the test item.

To this end, increasing volumes of ultra-pure water were added in a stepwise procedure, to approximately 1000 mg of the test item at 22 °C until complete dissolution, which occurred after addition of 0.5 ml of water. The concentration of test item was subsequently determined by HPLC with UV detection.

The determined water solubility of Nicotinamide-beta-D-riboside bromide at 22 °C and pH 2-3 is >=993 g/l.

The validity criterion was fulfilled.